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Mal-PEG5-NHS ester

CAT: 0013-GTR19226364-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226364-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mal-PEG5-NHS ester is a heterobifunctional PROTAC linker used to conjugate targeting ligands to E3 ligase recruiters. It is widely employed in constructing PROTAC molecules for targeted protein degradation research in both cellular and in vivo models, facilitating the study of disease-related proteins.
CAS Number
1807537-42-3
Field of Research
Pharmacology & Drug Discovery, Stem Cell & Developmental Biology
Smiles
O=C (ON1C (=O) CCC1=O) CCOCCOCCOCCOCCOCCN2C (=O) C=CC2=O
Molecular Formula
C21H30N2O11
Molecular Weight
486.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mal-PEG5-NHS ester
CAS Number1807537-42-3
PubChem CID77078334
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC21H30N2O11
Molecular Weight486.5
XLogP-2.3
Topological Polar Surface Area147
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Heavy Atom Count34
Formal Charge0
Complexity706
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCN2C(=O)C=CC2=O
InChI
InChI=1S/C21H30N2O11/c24-17-1-2-18(25)22(17)6-8-30-10-12-32-14-16-33-15-13-31-11-9-29-7-5-21(28)34-23-19(26)3-4-20(23)27/h1-2H,3-16H2
InChIKey
PDFXZGGPCFZXJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG5-NHS ester
CAS: 1807537-42-3
CID: 77078334
Formula: C21H30N2O11
MW: 486.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.5
XLogP3-2.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Exact Mass486.18495978
Monoisotopic Mass486.18495978
Topological Polar Surface Area147 Ų
Heavy Atom Count34
Formal Charge0
Complexity706
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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